2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-(piperonylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCNC(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H26N4O4S/c1-24-9-4-19-17(23)12-21-5-7-22(8-6-21)18(27)20-11-14-2-3-15-16(10-14)26-13-25-15/h2-3,10H,4-9,11-13H2,1H3,(H,19,23)(H,20,27)/p+1